5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide

C9H13N3O2S — CID 166390592

IUPAC5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide
SMILESCCc1nsc(N)c1C(=O)NC1COC1
InChIInChI=1S/C9H13N3O2S/c1-2-6-7(8(10)15-12-6)9(13)11-5-3-14-4-5/h5H,2-4,10H2,1H3,(H,11,13)
InChIKeyAFMVJLMRDSMJDX-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.42
Rot. Bonds3

About 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide

5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide (PubChem CID 166390592) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide
PubChem CID166390592
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide
SMILESCCc1nsc(N)c1C(=O)NC1COC1
InChIInChI=1S/C9H13N3O2S/c1-2-6-7(8(10)15-12-6)9(13)11-5-3-14-4-5/h5H,2-4,10H2,1H3,(H,11,13)
InChIKeyAFMVJLMRDSMJDX-UHFFFAOYSA-N
XLogP0.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1,2-thiazole-4,5-diamine
CID 69334000
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
CID 102801920
3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103379447
3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103380765
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide
CID 134103425
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide (CID 166390592) is 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide is CCc1nsc(N)c1C(=O)NC1COC1.
What is the InChIKey of 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is AFMVJLMRDSMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-6-7(8(10)15-12-6)9(13)11-5-3-14-4-5/h5H,2-4,10H2,1H3,(H,11,13).
What are the key properties of 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide?
5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-N-(oxetan-3-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 166390592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).